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ENVIRONMENTAL SCIENCE & TECHNOLOGY · 2025 · IF 11.3

Predicting the Kinetics of Cu and Cd Release from Diverse Soil Dissolved Organic Matter: A Novel Hybrid Model Integrating Machine Learning with Mechanistic Kinetics Model

Qianting Ye,Rong Li,Bin Liang,Lanlan Zhu,Jiang Xiao,Zhenqing Shi

Kinetic release of trace metals from soil dissolved organic matter (DOM) to solution is the key process controlling the mobility and bioavailability of trace metals in soil environment. However, due to the complexity of soil DOM, predicting the reaction rates of trace metals with soil DOM from different sources remains challenging. In this study, we developed a novel hybrid model integrating machine learning with mechanistic kinetics model, which can quantitatively predict the release rates of Cu and Cd from diverse soil DOM based on their compositions and properties. Our model quantitatively demonstrated that the molecular compositions of DOM controlled metal release rates, which had more profound impact on Cu than Cd. Our modeling results also identified two key factors affecting metal release rates, in which high concentrations of Ca and Mg ions in DOM significantly decreased the release rates of Cu and Cd, and the reassociation reactions of metal ions with DOM became more significant with the release of metals from DOM. This work has provided a unified kinetic modeling framework combining both mechanistic and data-driven approaches, which offers a new perspective for developing predictive kinetics models and can be applied to different metals and DOM in dynamic environments.

CAS / MDL: 78922-04-0
✓ 已验证 产品关联 DOI PubMed 高影响因子
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ACTA PHYSICO-CHIMICA SINICA · 2025 · IF 13.5

Small changes, big differences: Modified KSCN flux route for one-pot synthesis of Cd vacancy-enriched MoS2/CdS and the enhanced photocatalytic H2 evolution performance

Yuge Fan,Xianliang Fu,Li Zhu,Man Xu

Low-temperature KSCN flux has been used for one-pot fabrication of decorated sulfide-based photocatalysts. However, the reaction system is actually short of S precursor, as it is determined by the decomposition of relatively stable KSCN, which may not be conducive to the production of high-performance catalysts. To this end, a modified KSCN flux route with a dosage of external S source was developed and used for the one-pot preparation of sulfide photocatalyst with 1% MoS 2 /CdS as the prototype. The results indicated that, compared with the sample (MC) prepared in conventional KSCN flux, a highly efficient sample enriched with seldom reported Cd vacancy (V Cd , MC-S) could be readily fabricated under the S 2− -rich environment. Furthermore, both the size of CdS and MoS 2 could be substantially reduced from μm to nm scale as more nuclei could be introduced in the flux, which leads to a few-layer MoS 2 that can be uniformly and tightly anchored on CdS with the average size of only ∼33 nm. Consequently, the resulting MC-S demonstrated an exceptional H 2 evolution activity of 15.01 mmol h −1 g −1 — a significant 6.5-fold improvement over its counterpart (MC) prepared through traditional KSCN flux. The high activity can be mainly ascribed to the introduction of V Cd and the close interface between small CdS and few-layer MoS 2 , which both benefit electron-hole separation. The preparation mechanism of the samples was tentatively compared and discussed from the difference in the nucleation and the development of crystals. We believe that this improved preparation method will also benefit the synthesis of other high-performance sulfide-based photocatalysts.

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RSC Advances · 2016 ·Vol. 6 ·期 56 ·50993-51004 · IF 3.289

Synthesis and thermo-responsive self-assembly behavior of amphiphilic copolymer β-CD–(PCL–P(MEO2MA-co-PEGMA))21 for the controlled intracellular delivery of doxorubicin

Beibei Lu,Lei Li,Lulu Wei,Xuhong Guo,Jun Hou,Zhiyong Liu

Well-defined amphiphilic β-cyclodextrin (β-CD) star-shaped copolymers with poly(ε-caprolactone)–poly(2-(2-methoxyethoxy)ethyl methacrylate)-co-poly(ethylene glycol)methacrylate) (β-CD–(PCL–P(MEO2MA-co-PEGMA))21 were synthesized via ring opening polymerization (ROP) and atom transfer radical polymerization (ATRP). These thermo-responsive copolymers exhibited a lower critical solution temperature (LCST) in water, which could be finely tuned by changing the feed ratio of PEGMA and MEO2MA. The LCST of star-shaped β-CD–(PCL–P(MEO2MA-co-PEGMA))21 increased from 26 to 62 °C with the increasing PEGMA content, the copolymers were characterized using Fourier transform infrared spectroscopy (FTIR), proton nuclear magnetic resonance (1H NMR) and gel permeation chromatography (GPC). The star-shaped copolymers could self-assemble into micelles in aqueous solution due to their amphiphilic properties resulting from the hydrophobic β-CD and PCL core and the hydrophilic P(MEO2MA-co-PEGMA) segments, which was investigated by dynamic light scattering (DLS) and transmission electron microscopy (TEM). The in vitro DOX release studies showed that DOX released from drug-loaded micelles in a thermo-sensitive manner. CCK-8 assays demonstrated that these star-shaped copolymers could possess low cytotoxicity against HeLa cells, and the DOX-loaded micelles exhibited a higher inhibition of the proliferation of HeLa cells in comparison with free DOX. Moreover, the results from confocal laser scanning microscopy (CLSM) revealed that these polymeric micelles could efficiently deliver and release DOX into the nuclei of HeLa cells. This kind of biodegradable, biocompatible and stimuli-responsive copolymer could serve as a promising material for drug delivery.

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INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES · 2026 ·Vol. 27 ·期 20 ·8998 · IF 5.6

Chitosan-Coated Calcium Alginate Microspheres Loaded with Alpha-Lipoic Acid/2-HP-β-CD Inclusion Complexes Enhance Aqueous Solubility and Enable pH-Responsive Intestinal Release

Yu Cui,Shiya Huang,Yeming Fu,Zihao Zhou,Xiaowen Sun,Huadong Liu,Yuhong Lai

Alpha-lipoic acid (ALA) exhibits antioxidant and potential cardiovascular protective effects, but its insufficient stability in acidic environments and poor water solubility limit its oral delivery applications. In this study, the stability of lipoic acid in acidic environments was first evaluated through acid treatment combined with mass spectrometry analysis. Subsequently, 2-hydroxypropyl-β-cyclodextrin (2-HP-β-CD) and ALA were used to prepare lipoic acid inclusion complexes, which were characterized by phase solubility curves and X-ray diffraction (XRD). The inclusion complexes were further loaded into calcium alginate microspheres, and the properties of the microspheres were evaluated by scanning electron microscopy (SEM), morphological observation under different pH conditions, swelling ratio, and in vitro release experiments. Following acid treatment, the liquid chromatography–mass spectrometry (LC-MS) response of original ALA decreased, suggesting a reduction in detectable original ALA. The inclusion with 2-HP-β-CD significantly improved the solubility of lipoic acid and altered its crystalline characteristics. The inclusion complex-loaded calcium alginate microspheres exhibit a relatively intact microstructure, display distinct morphological changes and swelling behaviors under different pH conditions, and achieve pH-dependent release. This system may serve as a potential oral delivery platform for improving the aqueous dispersibility of ALA and promoting pH-responsive release under simulated intestinal conditions.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2018 · IF 5.091

Rational synthesis of MnxCd1-xS for enhanced photocatalytic H2 evolution: Effects of S precursors and the feed ratio of Mn/Cd on its structure and performance

Hui Li,Ziqun Wang,Yunhui He,Sugang Meng,Yun Xu,Shifu Chen,Xianliang Fu

Rational synthesis of photocatalytic materials is an effective way to improve their performance. In this work, to optimize the S precursors, a series of Mn x Cd 1−x S (MCS) were first hydrothermally synthesized with the prevalent thiourea (TA), thioacetamide (TAA) and L-cysteine (L-Cys) as the S sources. The optimum feed ratio of Mn/Cd was then determined based on the optimized S precursor. The effects of S precursors and the feed ratio of Mn/Cd on the phase structure, absorption, morphology, band structure, and the photocatalytic hydrogen evolution reaction (HER) performance of MCS were investigated systematically. The hexagonal phase structures of MnS, CdS, and MCS are favored by TA and L-Cys as the S sources, while their cubic phases are benefited by TAA. TAA is the preferred S source for the preparation of highly active MCS and the solid solution is formed through the consolidation of cubic α-MnS into cubic CdS. The activity of MCS can be improved with the increase of Mn content from x = 0–0.6. The sample with x = 0.6 shows the highest HER activity (2253 μmol·h −1 ·g −1 ) and the performance is almost 6 times higher than CdS (416 μmol·h −1 ·g −1 ). The enhanced activity can be attributed to the improved separation efficiency of photo-induced charge carriers and the negative-shifts of E cb , which are induced by the introduction of Mn. A segregation of inert α−MnS from MCS is occurred when Mn content is >0.6, resulting in a decay of the HER activity. A change of the semiconductivity from n-type to bipolar type is occurred in MCS due to the uneven sulfidation of Mn in MCS.

研究领域: 材料科学 · 光催化
✓ 已验证 DOI PubMed 高影响因子
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JOURNAL OF MOLECULAR LIQUIDS · 2023 · IF 6

Unraveling adsorption characteristics and removal mechanism of novel Zn/Fe-bimetal-loaded and starch-coated corn cobs biochar for Pb(II) and Cd(II) in wastewater

Haixin Xia,Yaohong Zhang,Qian Chen,Renrong Liu,Hai Wang

Two functionalized biochar composites (ZF@CBC and SZF@CBC) were fabricated and applied for capturing Pb(II) and Cd(II) from wastewater. SZF@CBC were achieved by loading Zn/Fe nanoparticles (NPs) and coating starch onto corn cobs biochar (CBC) surface, while ZF@CBC was realized by loading Zn/Fe NPs onto CBC surface. The characterization analysis (SEM-EDS, XRD and FTIR) revealed that Zn/Fe NPs and starch were successfully introduced onto CBC surface. The adsorption data of Pb(II) and Cd(II) by ZF@CBC and SZF@CBC conformed to the model of pseudo second order kinetic and Langmuir isothermal and the capture Pb(II) and Cd(II) was a chemisorption process. The maximum sorption capacities of SZF@CBC for Pb(II) and Cd(II) reached 199.98 mg/g and 183.93 mg/g, which were 3.37 and 3.84 times high as that of CBC, respectively. Due to the presence of plentiful exposed adsorption sites (–OH, –COOH, Zn-O and Fe-O) on SZF@CBC surface, which endowed it to accelerate Pb(II) and Cd(II) adsorption. In addition, complexation, electrostatic attraction, ion exchange and physical adsorption took part in the adsorption process. Besides, SZF@CBC still exhibited very good removal capacity for Pb(II) and Cd(II) even in the coexistence of multiple interfering ions and maintained stable adsorption capacity after five consecutive cycles. Therefore, SZF@CBC could be used as an excellent adsorbent for decontaminating Pb(II) and Cd(II) from wastewater with multiple pollutants, and also could be used in resource utilization of biomass waste, which possessed potential applications prospects.

研究领域: 环境科学 · 材料科学
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Journal of Food Measurement and Characterization · 2026 · IF 3.6

Influence of ultrasound treatment time on the loading capacity, solubility, stability and in vitro release of ferulic acid @β-CD modified debranched rice starch inclusion complexes

Chen Linlin,Yu Xiao,Li Wei,Zhang Haipeng,Zhang Sicong,Xin Jiaying,Zhang Na

Ferulic acid exists in nature mainly in the bound state in plant cell walls and is found in grains, fruits, vegetables, and Chinese herb.FA has a wide range of biological activities. However, the low stability and water solubility of FA limit its bioavailability. This has led to the encapsulation of FA to improve its bioavailability. This study prepared the binary polysaccharide-based carrier β-cyclodextrin/debranched rice starch (β-CD/DRS) by ultrasonic self-assembly. The particle size of β-CD/DRS was 107.23 ± 2.14 nm with a PDI index of 0.311 ± 0.075, which is affected by ultrasound time. The ternary inclusion complex of FA@β-cyclodextrin/debranched starch (FA@β-CD/DRS) was synthesized by the co-deposition method; the encapsulation and loading rate of FA were 89.32 ± 2.53% and 7.48 ± 0.54%, respectively. The structures of the ternary inclusions were analyzed by SEM, FT-IR, XRD, and DSC. The β-CD/DRS assembled using different ultrasound times modulated the FA@β-CD/DRS properties after deposition. The results showed that the inclusion compound was 1.22 times more photostable and 1.44 times more thermostable than FA. In the simulated gastrointestinal tract, the optimal in vitro release kinetics model was a first-order kinetic model, which was affected by pH. At pH 8.0, the cumulative release of ferulic acid was higher. The inclusion complex can continuously release ferulic acid, achieving a sustained-release effect, and its solubility in water is 3.9 mg/mL, which is approximately six times that of ferulic acid. In summary, the use of binary polysaccharide-based vector encapsulation can provide a more efficient method for the stabilization and delivery of phenolic acids. Graphical

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JOURNAL OF LUMINESCENCE · 2022 · IF 4.171

Enhancement and broadening of near infrared photoluminescence in Ag2X (X= S, Se) quantum dots via Cd doping for mini light-emitting diodes towads non-invasive bioimaging

Liping Wang,Xinyi Cao,Zaiqi Liu,Yuqiong Wang,Puxian Xiong,Wen Gao,Bo Tang

Exploring excellent near infrared-II (NIR-II) emitting materials is desirable for the advancement of high quality bioimaging, in virtue of the lower scattering, deep penetration and high sensitive of biological components in the second optical transmission window. Colloidal Ag 2 X (X = S, Se) nanocrystals exhibit tunable NIR photoluminescence in the second NIR region. However, the lack of highly efficient broadband NIR emitting Ag 2 X (X = S, Se) nanocrystals limits their spectroscopy applications. Herein, cadmium (Cd) doped Ag 2 X (X = S, Se) nanocrystals were prepared through a facile hydrothermal method at room temperature . The NIR luminescence was efficiently enhanced through controllable doping a little amount of Cd ions into the Ag 2 X (X = S, Se) quantum dots (QDs). Simultaneously, the great broadening of NIR emission was achieved in the Cd doped Ag 2 Se QDs, and the maximum full width at half maximum could reach up to 530 nm. Following the general principles of photoluminescence light-emitting diode (LED) devices, the fabricated NIR mini LEDs) light sources based on Cd doped Ag 2 Se QDs exhibited broadband NIR electroluminescence and superior optoelectronic stability, and were successfully employed for clear vessel imaging. The works proves the feasibility of NIR mini LEDs in non-invasive bioimaging, and paves way for the miniaturized broadband NIR light sources.

CAS / MDL: 78-10-4
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ANALYTICA CHIMICA ACTA · 2022 · IF 6.911

Simultaneous measurements of Cr, Cd, Hg and Pb species in ng L−1 levels by interfacing high performance liquid chromatography and inductively coupled plasma mass spectrometry

Yihuan Song,Feng Guo,Pingxiu Zeng,Jinhua Liu,Yuanchao Wang,Heyong Cheng

Toxicity, mobility, bioavailability and biofunctions of chromium, cadmium, mercury and lead are heavily dependent upon their specific chemical forms, leading to a high demand to metal speciation analysis rather than total quantification. Simultaneous speciation analysis of multiple metal(loid)s is attractive to a large sample capacity containing unstable analytes due to its economic and environmental advantages over the conventional single elemental strategies. In this work, an analytical method integrating online solid phase extraction into high performance liquid chromatography interfaced with inductively coupled plasma mass spectrometry (ICP-MS) to simultaneously preconcentrate and quantify Cr, Cd, Hg and Pb forms in pg L −1 levels in water was developed. Cr(III + VI), Cd(II), Hg(II), Pb(II), methylmercury (MeHg), ethylmercury (EtHg), and trimethyl (TML) and triethyl lead (TEL) were captured by the C 18 adsorbent (equilibrated with 10 mL of 1.0 mM 2-hydroxyethanethiol at 10 mL min −1 ) and eluted by mobile phase (5.0 mM Cys at pH 2.0), then completely separated on the C 18 column within 8.0 min and eventually determined by ICP-MS. Low limits of detection (0.001–0.007 ng L −1 ) and quantification (0.003–0.023 ng L −1 ), good relative standard deviations (<4%) and high enrichment factors (827–2656 folds) were obtained with good linearities. Three reference materials of total cadmium (GBW08602), total mercury (GBW08603) and total lead (GBW08601) in water were analyzed by the developed method to validate the accuracy with good agreement with certified values and satisfactory recoveries (92–100%). This method was proved feasible by the determination of Cr, Cd, Hg and Pb compounds in drinking water , river water, pond water and tap water .

✓ 已验证 产品关联 DOI PubMed 高影响因子
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MICROCHEMICAL JOURNAL · 2023 · IF 4.8

Development of fluorescence sensor and paper chips based on EDTA etched-CdTe@CdS QDs for the selective and sensitive detection of Cd(II) in rice samples

Hui Cao,Xiner Ding,Zixin Chen,Jialuo Mao,Xiuna Ma,Ziqi Wei,Tai Ye,Min Yuan,Jinsong Yu,Xiuxiu Wu,Fengqin Yin,Fei Xu

EDTA-etched CdTe@CdS QDs were used as the specific recognition element and signal probe of a fluorescence sensor or paper chip for the highly sensitive detection of Cd(II) with an electronic eye device as readout. The results showed that the CdTe@CdS QDs were successfully synthesized with a typical core–shell structure. Under the optimum conditions, the EDTA-etched CdTe@CdS QDs sensor achieved the sensitive detection of Cd(II) with a detection limit of 0.092 μM and a concentration range of 0.44–6.67 μM. The paper chips based on the EDTA-etched CdTe@CdS QDs sensor had a visual cut-off value of 0.44 μM with a short detection time (<15 min). The proposed method also exhibited excellent stability, high specificity, and good recovery for Cd(II) in real rice samples. These results suggested that the EDTA-etched CdTe@CdS QDs provide a promising platform for on-site and visual detection of Cd(II) in rice samples.

✓ 已验证 产品关联 DOI 高影响因子
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CHEMICAL ENGINEERING JOURNAL · 2021 · IF 13.273

Amorphous Mn-La oxides immobilized on carbon sphere for efficient removal of As(Ⅴ), Cd(Ⅱ), and Pb(Ⅱ): Co-adsorption and roles of Mn species

Yinghao Xue,Wei Teng,Yanyan Chen,Qian Ma,Xiaoqian Chen,Yu Sun,Jianwei Fan,Yuping Qiu,Rongbing Fu

Simultaneous removal of cation (e.g., Pb(Ⅱ), Cd(Ⅱ)) and oxyanion (e.g., As(Ⅴ)) heavy metals have attracted increasing interest for adsorption applications due to the complexity of heavy metal polluted groundwater. Manganese-lanthanum binary oxides immobilized on hydrothermal carbonization carbon (Mn x La 1-x @HTCC) were therefore rationally designed in this work, and the Mn-La oxides immobilized on HTCC exhibited more uniform dispersion compared to bulk phase. In single adsorption systems, superior adsorption of different heavy metals could be achieved by tuning the molar ratio of Mn to La, and Mn leaching was reduced by ∼ 75% compared with Mn@HTCC (without La doping). In the coexisting systems, the simultaneous presence of As(Ⅴ) and Pb(Ⅱ) greatly enhanced adsorption of both two heavy metals, while competition was observed in the coexistence of As(Ⅴ) and Cd(Ⅱ). By analyzing the “release-readsorption” phenomenon of Mn and the variation of Mn valence during adsorption, the different roles of Mn species in the removal of three heavy metals were proposed. Finally, high-speed flow adsorption column experiments confirmed that the Mn x La 1-x @HTCC composite can effectively and continuously adsorb heavy metals accompanied by trace Mn leaching content. Overall, this study indicates the potential of Mn-La carbon composites as a novel adsorbent in groundwater remediation.

CAS / MDL: 10277-43-7 57-50-1
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ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY · 2018 · IF 3.974

EDTA and organic acids assisted phytoextraction of Cd and Zn from a smelter contaminated soil by potherb mustard (Brassica juncea, Coss) and evaluation of its bioindicators

Di Guo,Amjad Ali,Chunyan Ren,Juan Du,Ronghua Li,Altaf Hussain Lahori,Ran Xiao,Ziyang Zhang,Zengqiang Zhang

Phytoremediation of contaminated soil is an in-situ reclamation technique for removal of potentially toxic metals through hyperaccumulator plants. Potherb mustard ( Brassica juncea, Coss. ) is less explored for its assisted phytoextraction potential to restore and accelerate potentially toxic metals removal from smelter-contaminated soil. In this study, different levels of ethylene diamine tetraacetic acid (EDTA) alone and combined with citric acid (CA) and oxalic acid (OA) were applied in a greenhouse pot experiment. Chelates added on 25th d and 25/35th d after sowing, enhanced cadmium (Cd) and zinc (Zn) bioavailability in soil due to complexation. As a result, Cd and Zn in shoot and root were significantly amplified by 1.7, 2.15 and 1.93, 2.7 folds than control, respectively. Shoot and root dry weight significantly reduced and ranged between 4.13–9.91 and 0.21–0.77 g pot −1 , respectively. The toxicity induced by potentially toxic metals in plant imposed a series of biological responses. Plant antioxidants like Phenylalanine ammomialyase (PAL), polyphenol oxidase (PPO) Catalase (CAT) content increased, except the peroxidase (POD) with the addition of chelating agents . Besides, biological concentration factor (BCF) of Cd and Zn, translocation factor (TF) of Cd were notably elevated (>1.0), while TF of Zn was reduced. Pearson correlation analysis showed a positive relation between DTPA-extractable and shoot concentration of Cd and Zn, whereas it showed negative correlation with plant dry weight. In general, chelate-assisted phytoremediation of smelter contaminated soil proved effective in this study, and followed the order: EDTA > EDTA + CA ≈ EDTA + OA > CK.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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